Drug Information| Drug ID: | NPD9307 |
| Drug Name: | Ly404039 |
| Molecular Formula: | C7H9NO6S |
| Canonical SMILES: | OC(=O)[C@@H]1[C@@H]2[C@H]1S(=O)(=O)C[C@@]2(N)C(=O)O |
| Standard InCHI: | InChI=1S/C7H9NO6S/c8-7(6(11)12)1-15(13,14)4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1 |
| Standard InCHIKey: | AVDUGNCTZRCAHH-MDASVERJSA-N |
| Max Developmental Stage: | Phase 1 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD9307Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient 
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| Intermediate Similarity | 0.7215 | NPC188231 |
| Intermediate Similarity | 0.7215 | NPC222327 |
| Remote Similarity | 0.6053 | NPC155512 |
| Remote Similarity | 0.5862 | NPC15864 |
| Remote Similarity | 0.5714 | NPC90476 |
| Remote Similarity | 0.5714 | NPC69374 |
| Remote Similarity | 0.5696 | NPC183845 |
| Remote Similarity | 0.5696 | NPC279661 |
| Remote Similarity | 0.5667 | NPC315897 |
| Remote Similarity | 0.5625 | NPC102815 |